3,3,3-trifluoro-N-methyl-1-(oxolan-3-yl)propan-1-amine

C8H14F3NO — CID 63563042

IUPAC3,3,3-trifluoro-N-methyl-1-(oxolan-3-yl)propan-1-amine
SMILESCNC(CC(F)(F)F)C1CCOC1
InChIInChI=1S/C8H14F3NO/c1-12-7(4-8(9,10)11)6-2-3-13-5-6/h6-7,12H,2-5H2,1H3
InChIKeyHJACAASBHFFGKF-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.56
Rot. Bonds3

About 3,3,3-trifluoro-N-methyl-1-(oxolan-3-yl)propan-1-amine

3,3,3-trifluoro-N-methyl-1-(oxolan-3-yl)propan-1-amine (PubChem CID 63563042) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-1-(oxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-1-(oxolan-3-yl)propan-1-amine
PubChem CID63563042
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3,3,3-trifluoro-N-methyl-1-(oxolan-3-yl)propan-1-amine
SMILESCNC(CC(F)(F)F)C1CCOC1
InChIInChI=1S/C8H14F3NO/c1-12-7(4-8(9,10)11)6-2-3-13-5-6/h6-7,12H,2-5H2,1H3
InChIKeyHJACAASBHFFGKF-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-1-(oxolan-3-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-1-(oxolan-3-yl)propan-1-amine (CID 63563042) is 3,3,3-trifluoro-N-methyl-1-(oxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-1-(oxolan-3-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-1-(oxolan-3-yl)propan-1-amine is CNC(CC(F)(F)F)C1CCOC1.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-1-(oxolan-3-yl)propan-1-amine?
The InChIKey is HJACAASBHFFGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12-7(4-8(9,10)11)6-2-3-13-5-6/h6-7,12H,2-5H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-1-(oxolan-3-yl)propan-1-amine?
3,3,3-trifluoro-N-methyl-1-(oxolan-3-yl)propan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-1-(oxolan-3-yl)propan-1-amine is sourced from PubChem (CID 63563042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).